============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 98.196 26.631 44.286 -99.200 -91.000 PHE 11 1.000 84.708 10.676 50.588 -99.200 -91.000 PHE 31 1.000 76.060 14.303 32.295 -99.200 -91.000 PHE 37 1.000 73.316 7.196 46.895 -99.200 -91.000 PHE 41 1.000 83.578 3.449 44.537 -99.200 -91.000 TYR 51 0.840 76.852 24.359 43.660 -99.200 -91.000 PHE 57 1.000 71.205 15.737 34.856 -99.200 -91.000 PHE 69 1.000 72.019 14.277 29.061 -99.200 -91.000 PHE 86 1.000 82.600 -0.068 40.535 -99.200 -91.000 TYR 89 0.840 80.615 -2.195 35.582 -99.200 -91.000 PHE 91 1.000 86.608 -1.478 28.576 -99.200 -91.000 PHE 94 1.000 87.267 1.976 23.110 -99.200 -91.000 TYR 104 0.840 80.558 16.153 18.147 -99.200 -91.000 TYR 106 0.840 91.227 15.710 11.674 -99.200 -91.000 PHE 112 1.000 78.266 22.312 14.578 -99.200 -91.000 TRP 123 1.040 92.698 3.573 36.168 -99.200 -91.000 TRP6 123 1.020 94.658 3.574 37.502 -99.200 -91.000 HIS 128 0.900 87.536 -5.615 48.147 -99.200 -91.000 TYR 132 0.840 83.783 -8.429 34.227 -99.200 -91.000 HIS 133 0.900 82.722 -3.943 41.086 -99.200 -91.000 PHE 140 1.000 91.501 -1.994 26.453 -99.200 -91.000 PHE 141 1.000 88.902 4.913 26.911 -99.200 -91.000 HIS 143 0.900 95.979 3.013 18.212 -99.200 -91.000 PHE 156 1.000 98.336 20.191 45.759 -99.200 -91.000 PHE 174 1.000 90.704 13.329 37.711 -99.200 -91.000 PHE 175 1.000 90.241 5.895 33.093 -99.200 -91.000 TYR 181 0.840 86.964 7.257 44.737 -99.200 -91.000 TYR 193 0.840 94.584 22.965 43.957 -99.200 -91.000 TRP 214 1.040 99.747 5.212 34.763 -99.200 -91.000 TRP6 214 1.020 101.579 4.679 33.382 -99.200 -91.000 HIS 219 0.900 100.948 7.130 46.476 -99.200 -91.000 TRP 247 1.040 103.606 9.953 25.990 -99.200 -91.000 TRP6 247 1.020 105.825 9.378 26.545 -99.200 -91.000 HIS 266 0.900 101.131 -0.723 32.475 -99.200 -91.000 PHE 274 1.000 100.984 5.870 27.402 -99.200 -91.000 PHE 287 1.000 120.077 2.441 20.089 -99.200 -91.000 TYR 300 0.840 102.125 -12.035 36.461 -99.200 -91.000 PHE 304 1.000 93.336 -6.888 39.290 -99.200 -91.000 HIS 306 0.900 87.201 -13.060 45.114 -99.200 -91.000 PHE 308 1.000 93.941 -17.747 41.789 -99.200 -91.000 PHE 311 1.000 99.769 -15.502 45.471 -99.200 -91.000 TYR 312 0.840 96.974 -9.000 37.168 -99.200 -91.000 TRP 317 1.040 107.979 -7.598 48.482 -99.200 -91.000 TRP6 317 1.020 110.006 -7.203 49.633 -99.200 -91.000 TYR 320 0.840 115.120 -4.824 45.909 -99.200 -91.000 TYR 329 0.840 121.329 -6.254 29.974 -99.200 -91.000